6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;ethane;methane;4-methyl-2,1,3-benzoxadiazole

C17H25ClN4OS — CID 160732737

IUPAC6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;ethane;methane;4-methyl-2,1,3-benzoxadiazole
SMILESC.C.CC.Cc1c(Cl)nc2sccn12.Cc1cccc2nonc12
InChIInChI=1S/C7H6N2O.C6H5ClN2S.C2H6.2CH4/c1-5-3-2-4-6-7(5)9-10-8-6;1-4-5(7)8-6-9(4)2-3-10-6;1-2;;/h2-4H,1H3;2-3H,1H3;1-2H3;2*1H4
InChIKeyRUOCYHFDTVLUHN-UHFFFAOYSA-N
MW368.93 g/mol
LogP6.19
Rot. Bonds

About 6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;ethane;methane;4-methyl-2,1,3-benzoxadiazole

6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;ethane;methane;4-methyl-2,1,3-benzoxadiazole (PubChem CID 160732737) has the molecular formula C17H25ClN4OS and a molecular weight of 368.93 g/mol. Its IUPAC name is 6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;ethane;methane;4-methyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;ethane;methane;4-methyl-2,1,3-benzoxadiazole
PubChem CID160732737
Molecular FormulaC17H25ClN4OS
Molecular Weight368.93 g/mol
Exact Mass368.14
IUPAC Name6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;ethane;methane;4-methyl-2,1,3-benzoxadiazole
SMILESC.C.CC.Cc1c(Cl)nc2sccn12.Cc1cccc2nonc12
InChIInChI=1S/C7H6N2O.C6H5ClN2S.C2H6.2CH4/c1-5-3-2-4-6-7(5)9-10-8-6;1-4-5(7)8-6-9(4)2-3-10-6;1-2;;/h2-4H,1H3;2-3H,1H3;1-2H3;2*1H4
InChIKeyRUOCYHFDTVLUHN-UHFFFAOYSA-N
XLogP6.19
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.93
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;ethane;methane;4-methyl-2,1,3-benzoxadiazole?
The IUPAC name of 6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;ethane;methane;4-methyl-2,1,3-benzoxadiazole (CID 160732737) is 6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;ethane;methane;4-methyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;ethane;methane;4-methyl-2,1,3-benzoxadiazole?
The canonical SMILES for 6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;ethane;methane;4-methyl-2,1,3-benzoxadiazole is C.C.CC.Cc1c(Cl)nc2sccn12.Cc1cccc2nonc12.
What is the InChIKey of 6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;ethane;methane;4-methyl-2,1,3-benzoxadiazole?
The InChIKey is RUOCYHFDTVLUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O.C6H5ClN2S.C2H6.2CH4/c1-5-3-2-4-6-7(5)9-10-8-6;1-4-5(7)8-6-9(4)2-3-10-6;1-2;;/h2-4H,1H3;2-3H,1H3;1-2H3;2*1H4.
What are the key properties of 6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;ethane;methane;4-methyl-2,1,3-benzoxadiazole?
6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;ethane;methane;4-methyl-2,1,3-benzoxadiazole has a molecular weight of 368.93 g/mol, XLogP of 6.19, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;ethane;methane;4-methyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 160732737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).